NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2582 8.3149 121.7893 55.9946 33.3909 175.0371 2 E 4.1108 8.4088 122.8351 54.1253 30.3762 176.1183 3 T 4.2577 8.5923 115.3315 61.0689 72.2470 175.3621 4 A 3.9633 8.4420 122.4643 55.1618 18.3474 179.7974 5 A 4.1003 7.9477 118.7482 55.1777 18.5105 179.5526 6 A 4.2220 8.0985 120.6938 54.6614 18.3958 179.7403 7 K 3.9758 8.3917 118.4932 59.5386 32.2732 178.5746 8 F 4.0386 8.3901 120.9403 61.5178 39.3436 176.9723 9 E 4.0257 8.3522 118.0054 59.5033 29.0592 179.4171 10 R 4.0036 7.9855 117.7375 59.5040 30.2305 178.2484 11 Q 3.9939 8.0647 117.0598 58.0604 29.0748 176.3135 12 H 4.6537 7.9176 113.9968 53.9920 31.6243 173.3382 13 M 4.6741 7.9011 118.6499 53.9595 33.2374 176.9419 14 D 4.7439 9.1153 122.9411 52.4045 42.3054 176.4843 15 S 3.9925 8.1769 113.7106 58.8881 63.3478 174.6522 *24 N 4.5812 7.9359 118.0429 52.5454 39.3726 173.9287 25 Y 3.9862 8.3995 120.7254 61.1724 38.6986 178.9879 26 C 4.1448 8.0513 116.1446 60.1021 34.8367 175.8161 27 N 4.3439 8.7640 118.2850 56.3851 38.0109 177.6127 28 Q 3.8585 8.0191 119.3729 59.2197 28.7930 178.3912 29 M 3.6849 7.8583 119.5149 58.4659 31.9990 178.1073 30 M 4.0460 8.0964 119.3921 57.9559 31.9206 178.7419 31 K 3.9568 7.7134 120.9781 59.0146 32.2839 178.6697 32 S 4.0676 7.9608 112.3035 61.2671 62.1819 175.3945 33 R 4.3760 7.8480 118.2479 55.1275 30.3734 175.6508 34 N 4.2017 8.1002 115.6323 54.9162 37.7758 175.0860 35 L 4.4650 8.2573 118.1353 55.4337 42.6644 177.9769 36 T 5.5508 7.5120 106.6940 60.4894 69.2263 176.1140 37 K 4.1983 8.3888 124.2548 59.4199 32.3201 177.5808 38 D 4.8517 7.6295 115.5703 51.9658 40.0776 174.8380 39 R 3.8718 7.2228 114.7989 56.7968 31.1217 173.3476 40 C 5.2953 8.8048 115.8257 54.9963 41.7963 173.6849 41 K 4.4578 8.3215 125.8581 54.8758 32.8778 174.5759 42 P 4.7886 0.0000 0.0000 64.9079 32.2054 176.6423 43 V 5.1217 7.5376 109.3528 60.0918 35.9119 174.4085 44 N 4.6657 8.8780 119.8746 52.9164 42.5325 173.0766 45 T 4.7951 7.9359 121.3626 61.6721 71.6134 172.8741 46 F 4.9230 8.9226 124.6475 55.6557 41.9313 174.6018 47 V 4.5919 8.9195 123.4623 60.9312 33.4056 175.9675 48 H 5.7577 8.7355 127.6594 55.0603 27.2130 173.3827 49 E 4.8261 7.8449 116.3471 53.6076 34.0282 177.0162 50 S 4.4216 8.2662 114.7513 58.1187 65.1196 174.9526 51 L 4.0201 8.4901 124.3205 58.4229 41.9443 179.2153 52 A 4.2828 7.8948 121.5847 54.7646 18.1515 179.1758 53 D 4.3823 7.9072 116.2598 57.1319 41.1350 178.8098 54 V 3.8334 7.8011 118.6968 65.9903 31.1186 178.1311 55 Q 3.9487 8.5385 117.9401 58.7418 28.6322 178.5034 56 A 4.1081 8.1927 121.5191 54.5568 18.2444 179.6132 57 V 3.6148 7.7734 116.9284 65.7120 31.3493 176.7561 58 C 4.0180 7.7339 114.2015 57.7911 39.8742 173.9547 59 S 4.6716 7.4426 114.1335 58.0289 64.0183 174.2389 60 Q 4.5256 7.4795 122.2612 56.3956 27.2011 178.7142 61 K 4.2950 8.3437 131.7982 56.1788 32.7918 174.5297 62 N 4.3176 8.7442 125.1307 53.6190 39.6943 174.3038 63 V 4.5639 8.3658 118.1407 59.3277 36.9461 174.4916 64 A 4.2963 8.3396 124.7227 51.9881 19.1217 178.5599 65 C 4.5122 9.2149 119.9147 56.1082 41.0893 174.7458 66 K 3.6738 8.3602 122.9014 59.8772 31.5947 177.2350 67 N 4.5584 8.0866 112.6242 52.7887 37.4056 175.8408 68 G 3.8944 8.4321 107.8240 45.7740 0.0000 174.1017 69 Q 4.3482 8.5061 119.4810 55.8904 29.6036 176.1314 70 T 4.6670 8.2730 114.0482 63.5690 69.2708 174.2828 71 N 5.1092 8.0295 117.9813 53.4076 38.2917 174.6760 72 C 5.4280 7.4732 115.2744 56.6905 44.1375 173.0499 73 Y 5.0291 8.7304 118.3137 56.3869 42.2475 173.8476 74 Q 5.1663 9.0312 125.2143 54.0994 31.4508 174.9412 75 S 4.5022 8.7259 121.5324 58.5189 63.3940 174.1656 76 Y 4.2599 8.8695 121.1509 60.7082 37.8005 176.6121 77 S 4.9669 7.8871 112.5204 56.7395 65.6372 173.8638 78 T 4.3943 8.1950 110.1845 61.5433 69.9654 173.8622 79 M 5.0298 9.0850 121.8262 53.4012 36.9121 174.6290 80 S 4.8501 9.2122 117.0502 58.2505 63.6026 173.0933 81 I 5.1897 9.1708 120.4178 59.5171 41.5783 174.1218 82 T 5.0698 8.9663 120.0109 62.0552 71.6233 172.6931 83 D 5.0773 9.2953 126.8515 53.1386 43.3549 174.7990 84 C 5.5232 9.1319 120.4153 55.1970 40.0158 172.8995 85 R 5.2325 9.0509 124.2598 54.0291 32.6778 174.1868 86 E 4.0557 9.3730 128.5990 56.3856 30.9947 176.5102 87 T 3.9552 8.5089 117.0258 61.3261 69.8158 175.7691 88 G 3.6184 8.6879 111.5821 48.5491 0.0000 175.0268 89 S 4.2772 7.8594 112.3126 59.2942 63.6761 174.4090 90 S 4.1616 7.4266 116.7612 58.1618 62.8591 173.2198 91 K 4.5185 8.3625 127.1292 54.7359 35.2525 174.6001 92 Y 4.3009 8.7514 127.5115 57.5892 39.0088 174.2337 93 P 2.9700 0.0000 0.0000 63.2413 32.1448 176.6239 94 N 4.6042 7.7164 120.0013 51.5593 35.8719 173.7939 95 C 4.3669 7.7437 119.8308 57.7453 42.9986 173.3253 96 A 4.9801 8.3770 123.7324 50.6822 22.3474 174.7620 97 Y 5.0186 8.8355 118.7180 55.9361 41.9895 174.9880 98 K 4.4547 9.3066 124.5270 55.7979 33.9947 175.2559 99 T 5.0713 8.5970 124.1729 62.5070 70.1732 174.0833 100 T 4.6021 9.0278 123.7033 61.7519 71.5454 173.1093 101 Q 4.9045 8.7473 127.6338 55.4980 30.6158 174.2216 102 A 4.5922 8.7454 124.8777 51.3248 23.5712 175.0015 103 N 5.4132 8.7650 116.6355 51.7134 40.4572 174.3982 104 K 4.7970 9.0078 122.7855 54.4600 37.2829 175.8265 105 H 4.9089 9.2398 119.7838 55.9673 29.8850 174.7817 106 I 4.8456 8.6327 115.3696 59.2279 40.8645 174.3651 107 I 4.8666 8.2664 124.3025 59.6833 40.2589 175.0131 108 V 4.7810 8.5282 119.3799 59.3269 35.7257 174.4614 109 A 4.9536 8.6461 125.3744 51.1434 20.5032 175.7244 110 C 5.1609 8.7097 119.0142 55.3494 42.4984 173.3552 111 E 4.6851 8.6187 119.5547 56.3403 34.4477 175.5867 112 G 3.9163 10.0642 107.6795 44.7569 0.0000 171.7776 113 N 5.0258 8.1448 116.8630 51.0892 40.5744 172.5592 114 P 4.3436 0.0000 0.0000 62.6749 32.0394 175.5943 115 Y 4.8040 8.3136 121.4937 57.1379 38.9555 174.7385 116 V 4.4653 8.2577 119.5878 58.4206 36.5822 173.5368 117 P 4.4462 0.0000 0.0000 62.9653 31.0074 176.8330 118 V 4.3809 8.5003 115.9083 61.2540 34.0490 175.4959 119 H 5.1648 7.7999 116.5231 54.1689 33.5626 172.1650 120 F 4.7152 9.0710 124.4399 57.4005 39.3717 174.6372 121 D 4.6060 8.7348 127.4081 56.3327 41.9224 175.9059 122 A 4.5931 6.6473 117.3183 51.5702 22.2422 175.0085 123 S 5.2525 8.9085 113.3226 56.8473 66.2840 174.4270 124 V 4.1089 8.6378 120.2829 63.3629 31.8234 174.6981 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.31 4.26 0.00 1.71 1.78 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.54 7.81 2 E 8.41 4.11 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 3 T 8.59 4.26 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 4 A 8.44 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.95 4.10 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.10 4.22 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.39 3.98 0.00 1.94 2.02 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 8 F 8.39 4.04 0.00 3.11 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.35 4.03 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.66 0.00 10 R 7.99 4.00 0.00 1.79 2.06 0.00 3.34 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 11 Q 8.06 3.99 0.00 1.65 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 12 H 7.92 4.65 0.00 2.14 2.68 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.90 4.67 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.68 0.00 14 D 9.12 4.74 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.18 3.99 0.00 3.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *24 N 7.94 4.58 0.00 3.08 3.05 0.00 0.00 5.76 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.40 3.99 0.00 3.05 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.05 4.14 0.00 3.41 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.76 4.34 0.00 2.83 2.92 0.00 0.00 7.09 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.02 3.86 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 29 M 7.86 3.68 0.00 0.95 0.83 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.08 0.00 30 M 8.10 4.05 0.00 1.81 1.89 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.53 0.00 31 K 7.71 3.96 0.00 1.94 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.32 7.81 32 S 7.96 4.07 0.00 3.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.85 4.38 0.00 1.93 2.05 0.00 3.65 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 34 N 8.10 4.20 0.00 2.83 2.86 0.00 0.00 6.99 8.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.26 4.47 0.00 1.73 1.64 0.80 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.51 5.55 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 37 K 8.39 4.20 0.00 1.80 1.95 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.47 1.57 7.81 38 D 7.63 4.85 0.00 2.61 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.22 3.87 0.00 1.88 1.89 0.00 2.91 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 40 C 8.80 5.30 0.00 3.03 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.32 4.46 0.00 1.79 1.77 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.42 7.81 42 P 0.00 4.79 0.00 2.15 2.11 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 43 V 7.54 5.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 44 N 8.88 4.67 0.00 2.60 2.25 0.00 0.00 7.13 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.94 4.80 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 46 F 8.92 4.92 0.00 2.99 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.92 4.59 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.03 0.00 0.00 48 H 8.74 5.76 0.00 3.01 3.24 0.00 5.61 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.84 4.83 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 50 S 8.27 4.42 0.00 4.07 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.49 4.02 0.00 1.83 1.75 1.08 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.89 4.28 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.91 4.38 0.00 2.88 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.80 3.83 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.08 0.00 0.00 55 Q 8.54 3.95 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 56 A 8.19 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.77 3.61 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.02 0.00 0.00 58 C 7.73 4.02 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.44 4.67 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.48 4.53 0.00 2.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 61 K 8.34 4.29 0.00 1.56 1.67 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.92 1.10 7.81 62 N 8.74 4.32 0.00 2.68 2.64 0.00 0.00 7.00 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.37 4.56 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.82 0.00 0.00 64 A 8.34 4.30 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 9.21 4.51 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.36 3.67 0.00 2.01 1.86 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.56 7.81 67 N 8.09 4.56 0.00 2.84 2.88 0.00 0.00 6.12 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.43 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.51 4.35 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 70 T 8.27 4.67 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 71 N 8.03 5.11 0.00 3.07 3.14 0.00 0.00 5.99 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 7.47 5.43 0.00 3.07 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.73 5.03 0.00 2.85 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 9.03 5.17 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 75 S 8.73 4.50 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.87 4.26 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.89 4.97 0.00 3.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.20 4.39 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 79 M 9.09 5.03 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 80 S 9.21 4.85 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 9.17 5.19 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 1.01 0.00 0.00 82 T 8.97 5.07 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 83 D 9.30 5.08 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 9.13 5.52 0.00 2.90 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 9.05 5.23 0.00 1.97 1.80 0.00 3.20 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 86 E 9.37 4.06 0.00 2.17 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.78 0.00 87 T 8.51 3.96 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 88 G 8.69 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.86 4.28 0.00 3.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.43 4.16 0.00 3.72 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.36 4.52 0.00 1.77 1.57 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.40 7.81 92 Y 8.75 4.30 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 2.97 0.00 1.74 1.26 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 94 N 7.72 4.60 0.00 2.92 2.95 0.00 0.00 6.88 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 7.74 4.37 0.00 3.15 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.38 4.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.84 5.02 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.31 4.45 0.00 1.86 1.92 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.51 7.81 99 T 8.60 5.07 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 100 T 9.03 4.60 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 101 Q 8.75 4.90 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 102 A 8.75 4.59 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.76 5.41 0.00 2.57 2.76 0.00 0.00 6.70 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 9.01 4.80 0.00 1.71 1.81 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 9.24 4.91 0.00 3.17 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.63 4.85 1.72 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.88 1.13 0.00 0.00 107 I 8.27 4.87 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.64 0.79 0.00 0.00 108 V 8.53 4.78 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.81 0.00 0.00 109 A 8.65 4.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.71 5.16 0.00 1.85 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.62 4.69 0.00 1.83 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 112 G 10.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.14 5.03 0.00 2.63 2.69 0.00 0.00 6.89 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.34 0.00 2.23 2.05 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.31 4.80 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.26 4.47 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 117 P 0.00 4.45 0.00 0.49 1.21 0.00 3.35 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 118 V 8.50 4.38 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.94 0.00 0.00 119 H 7.80 5.16 0.00 3.05 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 9.07 4.72 0.00 2.83 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.73 4.61 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 6.65 4.59 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.91 5.25 0.00 3.96 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.64 4.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.